UCSF

ZINC58078769

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2011 23 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.05 6.34 -104.65 4 4 2 45 321.509 9
Mid Mid (pH 6-8) 2.05 3.91 -40.15 3 4 1 43 320.501 9

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )